SCHEMBL2204095

SCHEMBL2204095

CCOC(=O)c1sc(Nc2nc3c(c(N4CCC(O)CC4)n2)CCCCN3CCc2ccccc2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.57
NPC1 O15118 3/20 0.46
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
CSNK1D P48730 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 3/20 0.41
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2209018 0.94 PDE5A (0.57) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2204563 0.94 PDE5A (0.57) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2205641 0.88 PDE5A (0.60) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2205202 0.87 PDE5A (0.61) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2208752 0.85 PDE5A (0.57) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2204979 0.85 PDE5A (0.57) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2205026 0.85 PDE5A (0.56) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2206256 0.84 PDE5A (0.56) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2458899 0.84 PDE5A (0.56) PDE5ANPC1MAPTRAB9AHPGD
SCHEMBL2206414 0.84 PDE5A (0.59) PDE5ANPC1MAPTRAB9AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 US claimed
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S PDE5A 3946/4885NPC1 3322/4885MAPT 4840/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R PDE5A 4015/4885NPC1 3292/4885MAPT 4815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.